SCHEMBL23093385

SCHEMBL23093385

Clc1ncc2ccn(Cc3cccs3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.36
▸ TSHR P16473 7/20 0.36
▸ CYP1A2 P05177 11/20 0.36
▸ CYP3A4 P08684 10/20 0.36
▸ CYP2D6 P10635 8/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ CYP2C19 P33261 6/20 0.36
▸ CYP2C9 P11712 5/20 0.36
▸ CASP1 P29466 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ STAT6 P42226 1/20 0.35
▸ USP2 O75604 5/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29802514 0.81 DRD4 (0.38) TSHRHSD17B10HPGDLMNADRD4
SCHEMBL23093159 0.81 DRD4 (0.38) TSHRHSD17B10HPGDLMNADRD4
SCHEMBL23093469 0.80 CYP1A2 (0.43) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13837867 0.78 STAT6 (0.49) STAT6CLK4
SCHEMBL23093463 0.77 CYP1A2 (0.40) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL30881456 0.72 JAK2 (0.33) ALDH1A1STAT6CLK4
SCHEMBL17066933 0.72 JAK2 (0.33) ALDH1A1STAT6CLK4
SCHEMBL13732188 0.72 STAT6 (0.52) ALDH1A1STAT6LMNA
SCHEMBL15142438 0.71 HRH3 (0.47) STAT6CLK4
SCHEMBL1513237 0.70 DBH (0.46) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 — — US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 — — EP disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 — — WO disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES ALDH1A1 450/4885TSHR 3825/4885CYP1A2 71/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback